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By Liya Bochkareva, David Hui, Sergey Eremeev, Maksim Kireitseu, Igor Nedavniy

The principal goal of the present paper is to demonstrate an application of modern software engineering tools for modeling virtual reality and molecular dynamics of novel nanocomposites. The main technical components of presented system are I) software and nanoengineering tools for modeling of virtual reality, molecular dynamic and 30 video images of novel diamcindscontaining nanocomposites and 2) Problem tracking system to be used during modeling of virtual reality. A computational scheme and software, which utilizes neural networks and/or Microsoft. Net technique was developed to predict properties of nano-structured materials and optimization and control of nano-devices. Developed software and IT nanoengineering tools can be used by both industrial and private single users. For commercial companies proposed technology may provide better cost-effective alternative to the existing solutions for nanoengineering and modeling their virtual realit. For private users (students, professors, and engineers) proposed technology and IT tools can provide simple and cost-effective solution for nanoengineering while studying, exploring virtual reality and modeling novel nanostructures and its properties leading to an innovation or a discovery. Because of using novel software and methodologies, users can easily operate proposed technologies by available computers and operating systems (Pentium III or IV). In addition, users can upgrade it by their own self-written models, if necessary. The proposed technologies could replace or be used along with technologies for modeling such as 30 max studio and others.

Jan 1, 2004

By Lionel Ryan

In 1996, the Dominican Republic operation of Falconbridge (Falcondo) developed a 5-year Process Control Plan in conjunction with the corporate Process Control group located in Sudbury, Ontario, Canada. This plan was further refined into an analysis of the areas of the highest potential economic return for the company with the reduction shaft furnace operation being the most promising. Historically, the reduction plant, which comprises 12 shaft furnaces, has been the bottleneck of ferronickel production. Since 1996 there has been a history of control development, and the current status is that all 12 furnaces are using advanced model-based multi- variable predictive control. The combination of advanced process control (APC), improved control system performance and improved process information management has resulted in an increased throughput of 6% per shaft furnace and a reduction in operating costs of 4.5 US cent/lb of Ni. This paper reviews some of the major milestones that have been achieved in this development Keywords: Advanced Process Control; Model Based Predictive Control; Connoisseur, Reduction Shatt Furnace; Nickel Laterite Ore; Ferronickel; MonitorMV

Jan 1, 2004

By Sh. Najisi, O. Lashkari, M. R. Ghomashchi, A. Charette

"One of-the important parameters in casting and foundry technology is the fluidity of molten metal. This parameter becomes particularly important when casting thin wall parts. Therefore, understanding and controlling fluidity plays a major role in fabricating sound and defect-free cast components.Semi-Solid Metai SSM, slurry is a mixture of solid and liquid, mushy zone, with solid volume fractions of 0.1-0.5 and apparent viscosity close to oil viscosity at room temperature. It flows easily under pressure and capable of making complicated shapes with high degree of die filling and integrity.In this study, the ability of the semi-solid slurry to continue to flow is investigated through the effect of different fraction solids and holding temperatures. The results show that in mechanically stirred, MS, semi-solid 356 Al-Si alloy, increasing fraction solid reduces fluidity. Furthermore, the results of MS-alloy are compared with a newly patented Rheocasting route, i.e. SEED, Swirl Enthalpy Equilibrium Device to highlight the differences of the two processes. In addition, the interrelationships between microstructural evolution and fluidity are discussed."

Jan 1, 2004

By Dilip Banerjee

"This paper discusses the Advanced Technology Program (ATP)'s support over the last decade to the development and use of process modeling as a tool to address some of the challenges faced by the U.S. metal casting industries. A particular focus will be given to highlight how process modeling can be used to improve the manufacturability of components needed for high performance and critical applications. The challenges associated with the design and production of thin-walled, cast parts with intricate and complex internal geometries will be discussed. Modeling issues associated with the control of the final grain structure in the solidified parts will also be addressed. This paper will describe the advantages of using appropriate mathematical models for designing new alloys for use in various applications.Finally, the role that ATP has played in uplifting the U.S. technological base through partnerships with industry and academia in high-risk research in order to bring to market new and improved products for the broader benefit of the nation will be discussed.ATP's BackgroundIn the 1980s, U.S. industries were losing market share to low-cost, high-quality manufacturers from Asian countries. Corporate leaders and policy makers determined that in order to sustain and grow market share, U.S. industries needed to improve their competitiveness and productivity through product and process innovation. There was evidence that companies were systematically under-investing in leading-edgetechnologies and failing to complete the development of new technologies [l]. There were also arguments in academic circles that pointed to a potential market failure in the area of early-stage technological developments. These concerns provided impetus for creation of the Advanced Technology Program (ATP) within the National Institute of Standards and Technology through the Omnibus Trade and Competitiveness Act of 1988. Through a rigorously competitive, cost-shared partnership with industry, ATP fosters the development and broad dissemination of high-risk technologies that offer the potential for significant broad-based economic benefits to the United States."

Jan 1, 2004

By Ryosuke Matsuoka

Keywords: Tantalum capacitor, Scrap, Recovery, Titanium, Chlorination A recycling process for tantalum from capacitor scraps using an oxidation process followed by mechanical separation and chemical treatment was investigated. This study demonstrates that sintered tantalum electrodes inside the capacitor scraps can be mechanically collected after the oxidation of the scraps in air, and high-purity tantalum oxide powder (Ta2O5) was efficiently recovered after chemical treatment. By reducing the Ta2O5 obtained through magnesiothermic reduction, tantalum powder with 99 mass-% purity was obtained. Using the chlorination for tantalum recovery was also investigated, and the tantalum or tantalum compounds were reacted with chloride wastes such as FeClx. It was found that tantalum was effectively separated and purified when tantalum powder is reacted with FeClx at 1100 K under an argon atmosphere. This recycling process utilizing chloride scrap has now been extended to other reactive metals such as titanium.

Jan 1, 2004

By Yuanbing Ling

Keywords: Calcium sulfate, Sulfuric acid, Phase transformations, Thermodynamic analysis As part of a boarder research project, seeking the development of a cost-effective process for direct production of the high value material, -calcium sulfate hemihydrate, from sulfuric acid at atmospheric as opposed to elevated pressure conditions, the fundamental work presented here has been undertaken. This includes experimental monitoring of phase transformation reactions and thermodynamic analysis of the relationships among the various phases, namely, calcium sulfate dihydrate, hemihydrate and anhydrite in aqueous sulfuric acid solution at temperatures ranging from 20oC to boiling point.

Jan 1, 2004

By Pengfu Tan

NiModel, a thermodynamic model, database and computer program, has been developed to predict the distribution behavior of Ni, Cu, Co, Fe, S, O, As, Sb and Bi, and heat balance in the nickel pyrometallurgical processes such as Outokumpu flash smelting, Outokumpu direct high-grade matte smelting, INCO flash smelting, and Peirce-Smith converting processes. In this model, as much as 16 elements (Ni, Cu, Co, Fe, As, Sb, Bi, S, O, Al, Ca, Mg, Si, N, C and H) are considered. The compositions of matte, slag and gaseous phases, and heat balance are calculated using the thermodynamic data and the activity coefficients of the components derived from the experimental data. The model predictions were compared with the known industrial data from Kalgoorlie Nickel Smelter in Australia, Outokumpu Harjavalta Nickel Smelter in Finland and INCO Metals Company in Canada, and an excellent agreement was obtained. In this paper, the applications of NiModel in the nickel pyrometallurgical industries have been presented. NiModel has been used by Jinchuan Group Limited in China.

Jan 1, 2004

By Mikiya Tanaka

Keywords: Solvent extraction, nickel, electroless plating, accelerating effect With the increasing importance of electroless nickel plating technology in many fields such as the electronic and automobile industries, the treatment of spent baths is becoming a serious problem. Although the spent baths are currently treated by a conventional precipitation method, a method with no sludge generation is desired. Previously, we proposed the solvent extraction recovery of nickel from the spent baths by means of solvent extraction using LIX84I as the extractant. However, a problem of this method was that the extraction and stripping of nickel were not fast enough to achieve high efficiencies when the continuous extractor was used. We have overcome this difficulty by finding that the addition of an acidic organophosphorous reagent in small amount into the organic phase markedly promotes the extraction and stripping rates of the nickel. Shaking-out tests using a separatory funnel at 240 spm revealed that the time to reach the equilibria is more than 60 min with only 20 vol% LIX84I, but is reduced to 10 min and 2.5 min by adding 2 vol% DP8R, respectively, during the extraction and the stripping with sulfuric acid.

Jan 1, 2004

By Pengfu Tan

A thermodynamic model and computer program, CuModel, has been developed to model the distribution behaviors of Cu, Fe, S, O, Ni, Co, Sn, Pb, Zn, As, Sb, Bi, Au and Ag, copper loss in the slag, and heat balance in copper smelting process, matte converting process and copper con-tinuous smelting process. It can be predicted for any set of controllable process parameters such as feed composition, smelting temperature, degree of oxygen enrichment and volume of oxy-gen-enriched air. This model accounts for physical entrainment between matte and slag phases. It can be used in Isasmelt process, copper flash smelting process, Mitsubishi process, P-S con-verting process and Noranda process. The predictions by the present computer model are com-pared with the known commercial data from Guixi Smelter in China, PASAR Corporation in Philippines, Horne Smelter in Canada, MIM Limited in Australia and Naoshima Smelter in Ja-pan. The agreements between the computer predictions and the commercial data are excellent. In this paper, the applications of CuModel in the copper metallurgical industries have been pre-sented. CuModel has been used by Daye Smelter and Guixi Smelter in China, and by PASAR in Philippines as well.

Jan 1, 2004

By Elli Nurminen

Sulphate decomposition was studied in the conditions of a typical copper flash smelting heat recovery boiler. The aim was to determine the kinetics of the copper sulphate decomposition reactions and to find out if they are likely to take place in the process conditions prevailing in an industrial HRB. The information is essential in CFD-modelling of the reactions taking place in the boiler and for optimising the process. Thermal decomposition of sulphates was studied by thermogravimetry. The experiments were conducted with a commercial copper sulphate, a partially sulphated copper oxide and an actual process flue dust. The main variables studied were temperature and gas composition of a N2-O2-SO2-mixture. The samples were characterized with SEM, optical microscope and XRD. Temperature affected the decomposition rate strongly but the gas composition had a minor effect on the kinetics. The decomposition was fastest in the partly sulphated oxide and slowest in commercial copper sulphate. Keywords: Sulphate decomposition, flash smelting, heat recovery boiler, flue dust

Jan 1, 2004

By Patrick R. Taylor

Keywords: Thermal Plasma, Electroreduction, Electrolysis, Transition metals, Waste treatment, Molten oxides, Chromium oxide. An innovative process to treat transition metal oxide waste materials from diverse sources is presented. This technology involves using reverse-polarity DC plasma driven electrolysis in molten oxides. The process results in the recovery of the transition metal and other heavy metals from waste. By-products generated throughout the processing was converted to environmentally acceptable slag. The significance of this technology is that the treatment of the waste is accomplished in one step which in turn lowers the cost of remediation. Moreover, this process uses high temperature properties of thermal plasmas, which makes it possible to use molten oxides instead of halides as electrolytes. Chromium was successfully reduced from chromium oxide through the plasma driven electro-reduction process. It was shown that the selection of the appropriate ionic conducting oxides was critical for the formation of a slag that would enhance the reduction of chromium oxide.

Jan 1, 2004

By A. Vahed

The Goro Nickel Project is situated in the Southern Province of New Caledonia. Inco Limited and Goro Nickel S.A. have developed a process that features the use of pyrohydrolysis to produce nickel oxide. The process treats a blend of laterites by Pressure Acid Leaching followed by solvent extraction of nickel and cobalt using Cyanex 301®. Purified nickel chloride solution is converted to high purity NiO product and 6M hydrochloric acid, which is recycled back to the SX circuit. In co-operation with Andritz AG, spray roaster and fluid-bed pyrohydrolysis technologies were examined for this purpose. Tests were conducted at the Andritz AG pilot plant in Vienna, Austria, and at Goro in larger scale installations. The latter served to establish process engineering design parameters for scale-up. Several process variables were investigated in both technologies and the off-gas characteristics were established. Fluid-bed pyrohydrolysis was selected for the Goro commercial plant, primarily because it produced a granular nickel oxide. The main focus of this paper is to outline the results obtained in pilot plant studies of liquid fueled fluid bed pyrohydrolysis for the Goro Project. Keywords: lnco Goro Nickel, Fluid Bed Pyrohydrolysis, Pilot Plant Tests

Jan 1, 2004

By Janusz Majta

The aim of this work is to investigate the control of microstructure evolution through variation of particular deformation parameters in the two-phase (intercritical) region. Niobium-microalloyed and low-carbon steels were investigated. A detailed examination of the factors affecting the ferrite microstructures of tested steels indicated that there were distinct advantages of finishing at temperatures in the austenite-ferrite region. The various results of deformation in the two-phase region are presented. Consequently, the influence of the most important process parameters on the microstructure evolution and mechanical response of the material is determined. The prime objective of the realized research work is the determination of relationship between the history of deformation and final product quality i.e. texture and mechanical properties. To reach the objective, the constitutive equations are proposed for modeling the effects of the hot-deformation process occurring in the austenite and austenite-ferrite region of low carbon and microalloyed steels on the mechanical properties of the resulting product. These models link advanced, finite element approaches simulating metal flow and heat transfer during hot-plastic deformation with constitutive equations describing microstructural processes and mechanical properties.

Jan 1, 2003

By Kazuyuki Kakegawa

The sintering characteristics and the change in the compositional distribution in the PbTiO3-PbZrO3-Pb(Mg1/3Nb2/3)O3) system during the sintering process by spark plasma sintering (SPS) method were examined. They were compared with those by a normal sintering method. The densifieation by the normal sintering was slow even at high temperatures. When SPS method was employed, much lower temperature and shorter period resulted in sintered bodies having almost the theoretical density. As expected in normal sintering, the compositional distribution decreased as the sintered density increased. On the contrary, the change in the compositional distribution by SPS was much smaller than that in the normal sintering. This sintering characteristic of SPS suggested a possibility of fabrication of sintered material having a desired compositional distribution.

Jan 1, 2003

By Herman Wotruba

Mercury emissions and other environmental impacts in small-scale gold mining are a world-wide problem. "Clean" or better: "Cleaner" technologies have -apart from being environmentally sound -to guarantee a higher income and better working conditions for the miners in order to have a chance for long-term acceptance. In small scale primary gold mining in several South American countries, a number of techniques have been adapted and improved so that they not only were accepted due to their efficiency and easy handling, but they could also significantly lower mercury emissions.

Jan 1, 2003

By Rak-lun Choi

Plasma-induced damage of InGaN/GaN multiple quantum well (MQW) light-emitting diodes (LEDs) has been studied in terms of forward turn-on and reverse breakdown voltages, together with etch rate and surface morphology. The physical degradation of sidewall along with rough surface morphology of n-GaN caused by increased ion scattering induced the deterioration of the forward and reverse voltages. It was found that the turn-on voltage is sensitive to the surface roughness of the etched n-GaN and the breakdown voltage is strongly affected by the sidewall contamination. Annealing under nitrogen after the mesa etching improved the electrical properties of the InGaN/GaN MQW LEDs. Efficient blue light-emitting diodes (LEDs) were fabricated using InGaN/GaN triangular MQWs. The LEDs with triangular QWs showed a lower operation voltage and 2.4 times higher light output power than those with the rectangular MQW LEDs at 20 mA and 20 °C. The intensity of electroluminescence (EL) at 20 mA was almost independent of ambient temperature in the triangular QW LED, but decreased substantially in the rectangular one.

Jan 1, 2003

By Michael Zinigrad

The quality of metallic materials depends on their composition and structure and these are determined by various physico-chemical and technological factors. To effectively prepare materials with required composition, structure and properties it is necessary to carry out a research in two parallel directions: Comprehensive analysis of thermodynamics, kinetics and mechanisms of the processes taking place at the solid-liquid-gaseous phase interface during welding processes and development of mathematical models of the specific welding technologies. We have developed unique method of mathematical modeling of phase interaction at high temperatures. This method allows us to build models taking into account the thermodynamic characteristics of the processes, the influence of the initial composition and temperature on the equilibrium state of the reactions, the kinetics of heterogeneous processes, the influence of the temperature, composition, hydrodynamic and thermal factors on the velocity of the chemical and diffusion processes. The model can be implemented in the optimization of various technological processes in welding, surfacing, casting as well as in manufacturing of steels and non-ferrous alloys, materials refining, alloying with special additives, removing of non-metallic inclusions.

Jan 1, 2003

By Y. Takasaki

For zinc hydrometallurgical extraction, reducing the electric power consumption of the electrowinning process is an important issue for energy savings. At the Zinc & Lead 2000 symposium, the authors suggested that by using the Pb-0.5%Ag-0.6%Ca alloy, the electrolysis energy can be decreased compared to the conventional Pb-0.9%Ag alloy. In this study, the corrosion behaviors of the Pb-Ag-Ca electrode in a sulfuric-acid electrolyte were investigated. Based on the results Or me Pb-0.5%Ag-0.6%Ca anode after 20 days of electrolysis, the bath voltage and the quantity of anode slime decreased compared to the Pb-I%Ag anode. Subsequently, beta-PbO2 on the electrode surface was detected by XRD and its peaks were sharper than the Pb-1 %Ag anode. Moreover, a dense beta-PbO2 layer on the 0.6%Ca a anode surface was observed. Therefore, it was suggested that the dense beta-PbO2 layer on the anode surface is one of the factors that leads to a lower bath voltage and decreasing quantity of anode slime.

Jan 1, 2003

By Ko-ichiro Ohno

It is recently recognized that the iron reduction and melting as well as the slag separation of a composite of granular iron ore and coal are completed in a very short period of about IO minutes when the composite is rapidly heated up to approximately 1673K. These phenomena are expected to be applied to a new iron-making process. The mechanism of iron ore reduction and iron-slag separation during rapid heating has not yet been revealed and the fundamental research has just started. Carburization of the reduced iron is regarded as one of the most important steps in this process. In the present work, the composite was prepared from four kinds of coal or graphite as a carbon source and electrolytic iron powder as a completely reduced iron ore. The temperature at which the liquid formation and iron carburization occurred was monitored. Direct observation of smelting reduction behavior was made by a confocal laser-scanning microscope combined with the infrared image-heating furnace to clarify the effect of molten ash on iron carburization. It was found that the meltdown temperature of composite became lower as the melting temperature of coal ash decreased. From the observed result, it was presumed that the liquid slag would act as an important media for the carbon transfer from coal to iron. The carburization mechanism during the smelting reduction was estimated as follows. When slag containing iron oxide melted down and contacted carbon, iron oxide in the slag was reduced and the formation of the metallic iron particle as well as the its carburization occurred simultaneously at the slag-carbon interface. Carburized iron particle was carried from slag- carbon to slag-iron interfaces due to the slag convection flow caused by the difference of the interfacial tension between the carbon-slag and iron-slag interfaces. Carburization of reduced iron could proceed with a repeat of the above-mentioned process.

Jan 1, 2003

By Mikula Adolf

Lead-tin solders are commonly used in electronic packaging due to their unique combination of electrical, chemical, physical, thermal and mechanical properties. Since it is known that lead and lead containing alloys cause great environmental concern and health hazards it is necessary to replace lead in solder materials. Besides the environmental concerns new technologies in electronic packaging require new and improved solders. In most cases the new solders will consist of temary or quarternary alloy systems, the main component will be tin or indium and the second element could be bismuth. silver, copper and gold and to improve certain properties a third element will be added. For a third element zinc, nickel, antimony and aluminum can be considered. This report will concentrate on solders containing zinc as an environmental safe. element.

Jan 1, 2003